Stacking-Fault Energy and Anti-Invar Effect in FeMn Alloys

Autor:	Reyes-Huamantinco, Andrei, Puschnig, Peter, Ambrosch-Draxl, Claudia, Peil, Oleg E., Ruban, Andrei V.
Rok vydání:	2012
Předmět:	Condensed Matter - Materials Science Condensed Matter - Mesoscale and Nanoscale Physics
Druh dokumentu:	Working Paper
DOI:	10.1103/PhysRevB.86.060201
Popis:	Based on state-of-the-art density-functional-theory methods we calculate the stacking-fault energy of the paramagnetic random Fe-22.5at.%Mn alloy between 300-800 K. We estimate magnetic thermal excitations by considering longitudinal spin-fluctuations. Our results demonstrate that the interplay between the magnetic excitations and the thermal lattice expansion is the main factor determining the anti-Invar effect, the hcp-fcc transformation temperature, and the stacking-fault energy, which is in excellent agreement with measurements. Comment: 5 pages, 3 figures
Databáze:	arXiv
Externí odkaz:	http://arxiv.org/abs/1201.5808 Zobrazit plný text záznamu View this record from Arxiv